N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H16N2O2 — CID 79776862

IUPACN-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C15H16N2O2/c16-7-8-19-11-4-1-3-10(9-11)17-15(18)14-12-5-2-6-13(12)14/h1,3-4,9,12-14H,2,5-6,8H2,(H,17,18)
InChIKeyISJYPVFRRVDXLH-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79776862) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79776862
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C15H16N2O2/c16-7-8-19-11-4-1-3-10(9-11)17-15(18)14-12-5-2-6-13(12)14/h1,3-4,9,12-14H,2,5-6,8H2,(H,17,18)
InChIKeyISJYPVFRRVDXLH-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
5-[[3-(cyanomethoxy)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687992
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
[3-(cyanomethoxy)phenyl]urea
CID 43369607
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
1-[3-(cyanomethoxy)phenyl]-3-(4-methylcyclohexyl)urea
CID 51116767
1-[3-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369603
1-[3-(cyanomethoxy)phenyl]-3-ethylurea
CID 43175550
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 79776862) is N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide is N#CCOc1cccc(NC(=O)C2C3CCCC32)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ISJYPVFRRVDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-7-8-19-11-4-1-3-10(9-11)17-15(18)14-12-5-2-6-13(12)14/h1,3-4,9,12-14H,2,5-6,8H2,(H,17,18).
What are the key properties of N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79776862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).